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CAS 1361055-07-3 5-(4,5,6,7-Tetrahydrodiindeno[7,1-de:1′,7′-fg][1,3,2]dioxaphosphocin-12-yl)-5H-dibenzo[b,f]azepine molecular structure lightbox
CAS RN: 1361055-07-3

5-(4,5,6,7-Tetrahydrodiindeno[7,1-de:1′,7′-fg][1,3,2]dioxaphosphocin-12-yl)-5H-dibenzo[b,f]azepine

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251107 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20260305 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20250330 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250413 250mg In stock Shanghai Inquiry
Batchno.20251104 5g In stock Shanghai Inquiry
  • Product code: SSC-044976
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1361055-07-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shanghai Inquiry

1361055-07-3 / 11-(4,5,6,7-tetrahydroiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocin-12-yl)benzo[b][1]benzazepine

Standard CAS: 1361055-07-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1361055-07-3
Multi CAS
No
Molecular Formula
C31H24NO2P
Molecular Weight
473.500000
Exact Mass
473.154466
SMILES
C1CC23CCC4=C2C(=CC=C4)OP(OC5=CC=CC1=C35)N6C7=CC=CC=C7C=CC8=CC=CC=C86
InChI
InChI=1S/C31H24NO2P/c1-3-11-25-21(7-1)15-16-22-8-2-4-12-26(22)32(25)35-33-27-13-5-9-23-17-19-31(29(23)27)20-18-24-10-6-14-28(34-35)30(24)31/h1-16H,17-20H2
InChIKey
DWSOPRPHECDVRB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
24
Fraction Csp3
0.16
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
142.43
TPSA
21.7

LogP / Solubility

WLOGP
8.19
MLOGP
7.24
XLogP3
8.7
Consensus LogP
8.04
Log S (ESOL)
-8.37
Class (ESOL)
Insoluble
Log S (Ali)
-9.35
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.65
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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